Geometry & MOs

Info

ID:	38638
PubChem CID:	8137315
Reduced:	ClSN3O4C14H18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	375.066677
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	4.15
IP(EA), eV:	-10.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations